5-(4-chlorophenyl)-N-(5-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide

C18H11ClN4O2S — CID 3232303

IUPAC5-(4-chlorophenyl)-N-(5-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1ncc(-c2cccnc2)s1)c1ncoc1-c1ccc(Cl)cc1
InChIInChI=1S/C18H11ClN4O2S/c19-13-5-3-11(4-6-13)16-15(22-10-25-16)17(24)23-18-21-9-14(26-18)12-2-1-7-20-8-12/h1-10H,(H,21,23,24)
InChIKeyHVQQIJWIAGATHB-UHFFFAOYSA-N
MW382.83 g/mol
LogP4.77
Rot. Bonds4

About 5-(4-chlorophenyl)-N-(5-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide

5-(4-chlorophenyl)-N-(5-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide (PubChem CID 3232303) has the molecular formula C18H11ClN4O2S and a molecular weight of 382.83 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-(5-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-(5-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide
PubChem CID3232303
Molecular FormulaC18H11ClN4O2S
Molecular Weight382.83 g/mol
Exact Mass382.03
IUPAC Name5-(4-chlorophenyl)-N-(5-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1ncc(-c2cccnc2)s1)c1ncoc1-c1ccc(Cl)cc1
InChIInChI=1S/C18H11ClN4O2S/c19-13-5-3-11(4-6-13)16-15(22-10-25-16)17(24)23-18-21-9-14(26-18)12-2-1-7-20-8-12/h1-10H,(H,21,23,24)
InChIKeyHVQQIJWIAGATHB-UHFFFAOYSA-N
XLogP4.77
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.83
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-(5-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-(5-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide (CID 3232303) is 5-(4-chlorophenyl)-N-(5-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-(5-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-(5-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide is O=C(Nc1ncc(-c2cccnc2)s1)c1ncoc1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-N-(5-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is HVQQIJWIAGATHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClN4O2S/c19-13-5-3-11(4-6-13)16-15(22-10-25-16)17(24)23-18-21-9-14(26-18)12-2-1-7-20-8-12/h1-10H,(H,21,23,24).
What are the key properties of 5-(4-chlorophenyl)-N-(5-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide?
5-(4-chlorophenyl)-N-(5-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 382.83 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-(5-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3232303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).